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2024.devcycle3

Third quarterly development cycle leading to the 2024 release

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Unstarted Issues (open and unassigned)

0

Ongoing Issues (open and assigned)

1

Failing to detect a default CUDA architecture
#4863 Bug CMake CUDA

Completed Issues (closed)

14

Update gmxapi simulation setup protocol.
#4079 API restructuring Design discussion gmxapi mdrun python simulation-input-output
SYCL Listed Forces kernel broken on Gen9 Intel GPU
#4686 Bug SYCL StatusResolved oneAPI
mdrun ignores failures when copying state.cpt to state_prev.cpt
#4859 2023 Workshop StatusResolved
Simplify RB dihedral force calculation for CUDA and CPU
#4853 CUDA StatusResolved
Non-multiple GPU counts should be allowed
#4848 CUDA GPU acceleration StatusResolved
Gromacs 2023.1 never updates *_prev.cpt checkpoint file
#4810 StatusResolved checkpoint
The AWH growth factor should be user controllable
#4790 StatusResolved user feature request
Re-implement gmx hbond using TAF
#4743 Feature StatusResolved
Remove boilerplate functions for TimeControl access
#4583 StatusStale
improve DLB reporting in GPU-residen runs
#4408 GPU acceleration StatusStale
overcoming memory limitations in gmx hbond
#4371 analysis tools user feature request
Fix logic around use of x buffer ops
#4815 GPU acceleration core library mdrun
gmxapi.commandline_operation has potentially confusing behavior with relative paths in *input_files* parameter
#4827 gmxapiPython python
flop accounting can write garbage
#4513 2023 Workshop need info